SCHEMBL21690331

SCHEMBL21690331

CC[C@@H](NS(=O)(=O)c1ccc(CC(C)(C)C)cc1)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 17/20 0.68
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1409521 0.89 DUT (0.69) DUTALDH1A1LMNAHPGDTSHR
SCHEMBL1409522 0.89 DUT (0.69) DUTALDH1A1LMNAHPGDTSHR
SCHEMBL1409351 0.81 DUT (1.00) DUT
SCHEMBL1409353 0.81 DUT (1.00) DUT
SCHEMBL12630195 0.78 DUT (0.56) DUT
SCHEMBL21690325 0.77 DUT (0.68) DUT
SCHEMBL21690993 0.77 DUT (0.68) DUT
SCHEMBL22392894 0.76 RIPK1 (0.52) DUT
SCHEMBL20361647 0.75 DUT (0.68) DUT
SCHEMBL21325376 0.75 DUT (0.68) DUT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 — — US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT DUT 3/4885ALDH1A1 970/4885LMNA 1631/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT DUT 3/4885ALDH1A1 970/4885LMNA 1631/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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